SCHEMBL4557359

SCHEMBL4557359

COC(=O)OC1(C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC(O)[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
NR3C1 P04150 6/20 0.45
SHBG P04278 6/20 0.45
PGR P06401 5/20 0.45
ALDH1A1 P00352 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
LMNA P02545 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP3A4 P08684 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HIF1A Q16665 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HPGD P15428 1/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
HTT P42858 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4557358 1.00 AR (0.47) ARNR3C1SHBGPGRALDH1A1
SCHEMBL5697475 0.90 NR3C1 (0.46) ARNR3C1SHBGPGRALDH1A1
SCHEMBL10716868 0.83 PGR (0.53) ARNR3C1SHBGPGRALDH1A1
SCHEMBL4622887 0.81 SHBG (0.55) ARNR3C1SHBGPGRALDH1A1
SCHEMBL26133325 0.81 SHBG (0.55) ARNR3C1SHBGPGRALDH1A1
SCHEMBL4622891 0.81 SHBG (0.55) ARNR3C1SHBGPGRALDH1A1
SCHEMBL2823012 0.78 PGR (0.54) ARNR3C1SHBGPGRALDH1A1
SCHEMBL4556893 0.78 AR (0.43) ARNR3C1SHBGPGRALDH1A1
SCHEMBL3777671 0.77 LMNA (0.67) ARNR3C1SHBGPGRALDH1A1
SCHEMBL3777666 0.77 LMNA (0.67) ARNR3C1SHBGPGRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026818-A2 COMBINATION OF ANTI-INFLAMMATORY STEROIDS HAVING TRANSPORTER-ENHANCED CORTICOSTEROID ACTIVITY Bodor, Nicholas S. (US) 2009-02-25 EP disclosed
WO-2007142842-A2 COMBINATION OF ANTI-INFLAMMATORY STEROIDS HAVING TRANSPORTER-ENHANCED CORTICOSTEROID ACTIVITY BODOR NICHOLAS S (US) 2007-12-13 WO disclosed